methyl 4-[({3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
methyl 4-[({3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | 8017-7842 |
| Compound Name: | methyl 4-[({3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | COC(c1ccc(CNC(c2nc(c3ccc(cc3)n3cccc3)no2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1623 |
| logD: | 4.1623 |
| logSw: | -4.2703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.489 |
| InChI Key: | TWKYGFFQNYVCJU-UHFFFAOYSA-N |